SCHEMBL21035641

SCHEMBL21035641

CC(C)(C)OC(=O)NC1CCN(C(=O)[C@@H]2CN(Cc3ccc(-c4ccc(F)cc4)nc3)CCN2S(=O)(=O)c2ccc(OCC3CCCCC3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.39
PRKAA2 P54646 5/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
MCHR1 Q99705 1/20 0.38
MMP1 P03956 3/20 0.38
MMP13 P45452 3/20 0.38
ADAM17 P78536 2/20 0.38
MMP9 P14780 2/20 0.38
KCNQ1 P51787 1/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37
RORC P51449 3/20 0.37
HDAC1 Q13547 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21034973 0.96 GPR119 (0.39) GPR119PRKAA2CHRM1HTR2AMCHR1
SCHEMBL21035636 0.94 GPR119 (0.39) GPR119PRKAA2MMP1MMP13ADAM17
SCHEMBL21035508 0.94 SCN9A (0.41) GPR119MMP1MMP13ADAM17MMP9
SCHEMBL21036229 0.94 GPR119 (0.39) GPR119MMP1MMP13ADAM17MMP9
SCHEMBL21034944 0.94 PRKAA2 (0.40) PRKAA2MMP1MMP13ADAM17MMP9
SCHEMBL21034960 0.92 GPR119 (0.40) GPR119PRKAA2MMP1MMP13ADAM17
SCHEMBL21035090 0.92 GPR119 (0.40) GPR119PRKAA2MMP1MMP13ADAM17
SCHEMBL21035530 0.90 MMP1 (0.39) PRKAA2MMP1MMP13ADAM17MMP9
SCHEMBL21035600 0.88 MEN1 (0.41) MMP1MMP13ADAM17MMP9
SCHEMBL21035442 0.88 MEN1 (0.41) MMP1MMP13ADAM17MMP9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed